2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide

C18H18N4OS — CID 51104134

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc2c(CCNC(=O)Cc3cn4ccsc4n3)c[nH]c2c1
InChIInChI=1S/C18H18N4OS/c1-12-2-3-15-13(10-20-16(15)8-12)4-5-19-17(23)9-14-11-22-6-7-24-18(22)21-14/h2-3,6-8,10-11,20H,4-5,9H2,1H3,(H,19,23)
InChIKeyMFKHKOKASHMJNX-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.09
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 51104134) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID51104134
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc2c(CCNC(=O)Cc3cn4ccsc4n3)c[nH]c2c1
InChIInChI=1S/C18H18N4OS/c1-12-2-3-15-13(10-20-16(15)8-12)4-5-19-17(23)9-14-11-22-6-7-24-18(22)21-14/h2-3,6-8,10-11,20H,4-5,9H2,1H3,(H,19,23)
InChIKeyMFKHKOKASHMJNX-UHFFFAOYSA-N
XLogP3.09
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide (CID 51104134) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide is Cc1ccc2c(CCNC(=O)Cc3cn4ccsc4n3)c[nH]c2c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is MFKHKOKASHMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-2-3-15-13(10-20-16(15)8-12)4-5-19-17(23)9-14-11-22-6-7-24-18(22)21-14/h2-3,6-8,10-11,20H,4-5,9H2,1H3,(H,19,23).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 338.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 51104134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).